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3-hexanol
General Material Information
| Preferred name | 3-hexanol |
| Trivial Name | 3-Hexanol |
| Short Description | ethyl propyl carbinol |
| Formula | C6 H14 O |
| CAS Number | 623-37-0 |
| Deleted CAS Number | 17015-11-1 |
| FEMA Number | 3351 |
| Flavis Number | 2.089 |
| ECHA Number | 210-790-0 |
| FDA UNII | I1ZTO95J84 |
| Nikkaji Number | J94.874H |
| Beilstein Number | 1718964 |
| MDL | MFCD00004582 |
| COE Number | 11775 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 282 3-hexanol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 623-37-0 ; 3-HEXANOL |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| hexan-3-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 623-37-0 |
| Pubchem (cid): | 12178 |
| Pubchem (sid): | 134976948 |
| Pherobase: | View |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31493 |
| FooDB: | FDB008073 |
| Export Tariff Code: | 2905.19.9090 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 102.17678070068 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 6.815 to 6.848 |
| Refractive Index | 1.414 to 1.418 @ 20 °C |
| Boiling Point | 133 to 135°C @ 760 mm Hg |
| Vapor Pressure | 3.393 mmHg @ 25 °C |
| Flash Point TCC Value | 41.67 °C TCC |
| logP (o/w) | 1.65 |
| Solubility | |
| alcohol | Yes |
| water, 1.453e+004 mg/L @ 25 °C (est) | Yes |
| water, 1.61E+04 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Alcoholic | |
| alcoholic, medicinal, ethereal, fusel, green, solvent, fruit tropical fruit, pineapple, apple, cider, rummy | |
| General comment | At 1.00 % in dipropylene glycol. alcoholic medicinal ethereal |
| Mosciano, Gerard, (2009) | At 1.00 %. fusel, green, solventy alcoholic, with nuances of tropical fruits, pineapple, apple and cider and rum |
| Flavor Type: Alcoholic | |
| alcoholic, solvent, fusel, rummy, egg nog, whiskey, green, fruity, guava, apple | |
| Mosciano, Gerard, (2009) | At 20.00 ppm. alcoholic solvent like, fusel notes of rum, egg nogg and whiskey, green fruity nuances of guava and apple |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Floral , Herbal , Hyacinth |
| Flavoring purposes | Fruit tropical fruit |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 3-hexanol usage levels up to: | |||
| 0.6000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 11.00 (μg/capita/day) | ||
| Structure Class: | II | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 1.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| Safety and efficacy of saturated and unsaturated aliphatic secondary alcohols, ketones and esters with esters containing secondary alcohols belonging to chemical group 5 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):623-37-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12178 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2282 |
| WGK Germany:1 |
| hexan-3-ol |
| Chemidplus:0000623370 |
| RTECS:MIO857000 for cas# 623-37-0 |